7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane

C12H24N2 — CID 166882224

IUPAC7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane
SMILESCCN1CCN(C(C)(C)C)CC12CC2
InChIInChI=1S/C12H24N2/c1-5-13-8-9-14(11(2,3)4)10-12(13)6-7-12/h5-10H2,1-4H3
InChIKeyAWQSTBSRNIUKRR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds1

About 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane

7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane (PubChem CID 166882224) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane
PubChem CID166882224
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane
SMILESCCN1CCN(C(C)(C)C)CC12CC2
InChIInChI=1S/C12H24N2/c1-5-13-8-9-14(11(2,3)4)10-12(13)6-7-12/h5-10H2,1-4H3
InChIKeyAWQSTBSRNIUKRR-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane (CID 166882224) is 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane is CCN1CCN(C(C)(C)C)CC12CC2.
What is the InChIKey of 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane?
The InChIKey is AWQSTBSRNIUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-13-8-9-14(11(2,3)4)10-12(13)6-7-12/h5-10H2,1-4H3.
What are the key properties of 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane?
7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane has a molecular weight of 196.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 166882224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).